K250-0197 Screening compound: N~3~-(3,4-dimethoxyphenethyl)-6-[(1-{[(3-methoxypropyl)amino]carbonyl}propyl)sulfanyl][1,3]benzimidazo[1,2-c]quinazoline-3-carboxamide

K250-0197 Screening compound: N~3~-(3,4-dimethoxyphenethyl)-6-[(1-{[(3-methoxypropyl)amino]carbonyl}propyl)sulfanyl][1,3]benzimidazo[1,2-c]quinazoline-3-carboxamide
K250-0197 Screening compound: N~3~-(3,4-dimethoxyphenethyl)-6-[(1-{[(3-methoxypropyl)amino]carbonyl}propyl)sulfanyl][1,3]benzimidazo[1,2-c]quinazoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K250-0197
N~3~-(3,4-dimethoxyphenethyl)-6-[(1-{[(3-methoxypropyl)amino]carbonyl}propyl)sulfanyl][1,3]benzimidazo[1,2-c]quinazoline-3-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

K250-0197

Molecular Formula

C33H37N5O5S (C33 H37 N5 O5 S)

Compound Name

N~3~-(3,4-dimethoxyphenethyl)-6-[(1-{[(3-methoxypropyl)amino]carbonyl}propyl)sulfanyl][1,3]benzimidazo[1,2-c]quinazoline-3-carboxamide

IUPAC name

N-[2-(34-dimethoxyphenyl)ethyl]-9-({1-[(3-methoxypropyl)carbamoyl]propyl}sulfanyl)-81017-triazatetracyclo[8.7.0.0^{27}.0^{1116}]heptadeca-1(17)246811(16)1214-octaene-5-carboxamide

SMILES

CCC(C(NCCCOC)=O)Sc1nc(cc(cc2)C(NCCc(cc3)cc(OC)c3OC)=O)c2c2nc(cccc3)c3n12

InChI

InChI=1S/C33H37N5O5S/c1-5-29(32(40)34-16-8-18-41-2)44-33-37-25-20-22(12-13-23(25)30-36-24-9-6-7-10-26(24)38(30)33)31(39)35-17-15-21-11-14-27(42-3)28(19-21)43-4/h6-7,9-14,19-20,29H,5,8,15-18H2,1-4H3,(H,34,40)(H,35,39)/t29-/m0/s1

InChI Key

RQRODDWDZQJUQB-LJAQVGFWSA-N

MDL Number (MFCD)

MFCD15083970

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

615.75

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

16.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.758

Distribution Coefficient, logD

4.757

Water Solubility, LogSw

-4.67

Polar Surface Area

89.474

Acid Dissociation Constant (pKa)

13.00

Base Dissociation Constant (pKb)

4.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

K250-0197 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with K250-0197 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K250-0197?
Check Price and Availability of K250-0197, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K250-0197 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K250-0197
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K250-0197
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of K250-0197 available by request